1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide

C25H25N5O — CID 4210674

IUPAC1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3ccc(N(C)c4ccccc4)cc3)ccc21
InChIInChI=1S/C25H25N5O/c1-4-30-18(2)27-23-16-20(12-15-24(23)30)25(31)28-26-17-19-10-13-22(14-11-19)29(3)21-8-6-5-7-9-21/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyCTWQILOOUZIFGJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.90
Rot. Bonds6

About 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide

1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide (PubChem CID 4210674) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
PubChem CID4210674
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3ccc(N(C)c4ccccc4)cc3)ccc21
InChIInChI=1S/C25H25N5O/c1-4-30-18(2)27-23-16-20(12-15-24(23)30)25(31)28-26-17-19-10-13-22(14-11-19)29(3)21-8-6-5-7-9-21/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyCTWQILOOUZIFGJ-UHFFFAOYSA-N
XLogP4.90
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6085667
1-ethyl-N-[(4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2323425
1-ethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 136721256
N-[(4-acetamidophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 2368148
N-[(4-butoxyphenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 3485700
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
1-ethyl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 6902346
N-[(2-bromophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 5235917
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 9016965
1-ethyl-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 4680774
[4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 9016794
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 135607240

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide (CID 4210674) is 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(N(C)c4ccccc4)cc3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide?
The InChIKey is CTWQILOOUZIFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-4-30-18(2)27-23-16-20(12-15-24(23)30)25(31)28-26-17-19-10-13-22(14-11-19)29(3)21-8-6-5-7-9-21/h5-17H,4H2,1-3H3,(H,28,31).
What are the key properties of 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide?
1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide is sourced from PubChem (CID 4210674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).